Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005565
PROPERTIES
| NPAID | NPA005565 |
|---|---|
| CLUSTER ID | 1059 |
| NODE ID | 911 |
| NAME | Aspergilline D |
| FORMULA | C21H24N2O7 |
| MOLECULAR WEIGHT (Da) | 416.4300 |
| ACCURATE MASS (Da) | 416.1584 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | vesicolor |
| InChIKey | PQCKBAMPLOMUBD-WIOCFUBSSA-N |
| InChI | InChI=1S/C21H24N2O7/c1-9(24)19(27)16(26)23-17(2,3)11-8-10-6-5-7-12-13(10)18(15(25)22(12)4)14(11)20(23,28)21(19,29)30-18/h5-7,9,11,14,24,27-29H,8H2,1-4H3/t9-,11+,14+,18-,19+,20-,21+/m0/s1 |
| SMILES | C[C@@H]([C@]1(C(=O)N2[C@]3([C@@]1(O[C@]45[C@H]3[C@H](C2(C)C)CC6=C4C(=CC=C6)N(C5=O)C)O)O)O)O |
| SYNONYMS | |
| Cyclopiamide I | |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei Aspergillines A-E, highly oxygenated hexacyclic indole-tetrahydrofuran-tetramic acid derivatives from aspergillus versicolor Organic Letters 2014 16 (19) 5016-5019. | ||
|---|---|---|---|
| DOI | 10.1021/ol502307u | PMID | 25226561 |
